From b47d04650500ff54060d94f41f33e75c553b9c9a Mon Sep 17 00:00:00 2001 From: JonStargaryen <sebastian.bittrich@rcsb.org> Date: Fri, 21 May 2021 15:31:49 -0700 Subject: [PATCH] mapping still needed for #132 --- .../computed/accessible-surface-area/shrake-rupley.ts | 9 ++++++++- 1 file changed, 8 insertions(+), 1 deletion(-) diff --git a/src/mol-model-props/computed/accessible-surface-area/shrake-rupley.ts b/src/mol-model-props/computed/accessible-surface-area/shrake-rupley.ts index 8ed538ea8..8dd046a34 100644 --- a/src/mol-model-props/computed/accessible-surface-area/shrake-rupley.ts +++ b/src/mol-model-props/computed/accessible-surface-area/shrake-rupley.ts @@ -102,11 +102,18 @@ namespace AccessibleSurfaceArea { export function getValue(location: StructureElement.Location, accessibleSurfaceArea: AccessibleSurfaceArea) { const { area, serialResidueIndex } = accessibleSurfaceArea; - const rSI = serialResidueIndex[location.element]; + const rSI = serialResidueIndex[indexOf(location.structure.root.serialMapping.elementIndices, location.element)]; if (rSI === -1) return -1; return area[rSI]; } + function indexOf<T>(a: ArrayLike<T>, e: T): number { + for (let i = 0, il = a.length; i < il; i++) { + if (a[i] === e) return i; + } + return -1; + } + export function getNormalizedValue(location: StructureElement.Location, accessibleSurfaceArea: AccessibleSurfaceArea) { const value = getValue(location, accessibleSurfaceArea); return value === -1 ? -1 : normalize(StructureProperties.atom.label_comp_id(location), value); -- GitLab